Basic information
- CAS
18952-79-9- Standard SMILES
CC(C)c1cccc(OC(=O)N(C)N=O)c1- InChIKey
AJHKCJXLTDAPCQ-UHFFFAOYSA-N- Molecular formula
- C11H14N2O3
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.10044231
Names & identifiers
- Preferred name
- m-Cumenyl methylnitrosocarbamate
- IUPAC
- (3-propan-2-ylphenyl) N-methyl-N-nitrosocarbamate
- English name
- Methylnitrosocarbamic acid m-isopropylphenyl ester
- Molecular weight
- 0
Names & synonyms
CARBAMIC ACID, METHYLNITROSO-, m-CUMENYL ESTEREP3K425M3Qm-Cumenyl methylnitrosocarbamateNSC-190946DTXSID50172362(3-Propan-2-ylphenyl)n-methyl-N-nitrosocarbamateRefChem:201538DTXCID609485318952-79-9Hercules 11771-C3-(1-Methylethyl)phenyl methylnitrosocarbamate(3-propan-2-ylphenyl) N-methyl-N-nitrosocarbamate
Show more names
ENT-27347Hercules-11771-C
ENT 27,347NSC 190946Methylnitrosocarbamic acid m-isopropylphenyl esterCarbamic acid, methylnitroso-, 3-(1-methylethyl)phenyl esterUNII-EP3K425M3Q3-(Propan-2-yl)phenyl methyl(nitroso)carbamate
Database identifiers
- CAS
18952-79-9- PubChem CID
- 29342
- DTXSID
DTXSID50172362- UNII
- EP3K425M3Q
- Nikkaji
- J33.929F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- FDA UNII
- 3 K425M3Q · EP3K425M3Q
Chemistry & industry
Suppliers1 total
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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